N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide

C19H12ClF3N2O3S — CID 167860654

IUPACN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C19H12ClF3N2O3S/c20-11-1-3-13(4-2-11)25-29(27,28)14-7-5-12(6-8-14)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-10,25H,(H,24,26)
InChIKeyVEYPEYUNRCGLKZ-UHFFFAOYSA-N
MW440.83 g/mol
LogP4.81
Rot. Bonds5

About N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide

N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide (PubChem CID 167860654) has the molecular formula C19H12ClF3N2O3S and a molecular weight of 440.83 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
PubChem CID167860654
Molecular FormulaC19H12ClF3N2O3S
Molecular Weight440.83 g/mol
Exact Mass440.02
IUPAC NameN-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C19H12ClF3N2O3S/c20-11-1-3-13(4-2-11)25-29(27,28)14-7-5-12(6-8-14)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-10,25H,(H,24,26)
InChIKeyVEYPEYUNRCGLKZ-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-2-fluorobenzamide
CID 17069483
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzamide
CID 94783605
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
2-fluoro-4-iodo-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164618091
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784
4-chloro-N-[4-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]benzamide
CID 2730887
4-bromo-2-fluoro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 164615573

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide?
The IUPAC name of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide (CID 167860654) is N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(F)c(F)cc1F.
What is the InChIKey of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide?
The InChIKey is VEYPEYUNRCGLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O3S/c20-11-1-3-13(4-2-11)25-29(27,28)14-7-5-12(6-8-14)24-19(26)15-9-17(22)18(23)10-16(15)21/h1-10,25H,(H,24,26).
What are the key properties of N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide?
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide has a molecular weight of 440.83 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,4,5-trifluorobenzamide is sourced from PubChem (CID 167860654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).